#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry s SER 2 N 0.00 6.19 0.16 1.61 0.15 -1.26 -4.93 113.70 115.62 2cry s SER 2 Ca 0.00 -1.68 -0.16 0.00 0.70 0.00 0.00 55.95 54.81 2cry s SER 2 Cb 0.00 -2.24 0.09 0.00 -1.71 0.00 0.00 66.02 62.16 2cry s SER 2 CO 0.00 -0.95 1.71 -1.28 1.20 0.00 0.00 173.24 173.93 2cry h SER 3 N 8.99 -0.09 0.00 5.45 0.87 -2.11 -3.49 113.55 123.18 2cry h SER 3 Ca -0.30 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2cry h SER 3 Cb 1.10 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2cry h SER 3 CO 1.06 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.96 2cry n GLY 4 N -1.25 0.36 3.56 5.77 0.00 -1.26 -4.96 105.19 107.41 2cry n GLY 4 Ca 0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2cry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 5 N -4.00 6.73 -1.24 1.61 0.01 -1.26 -4.91 113.70 110.64 2cry s SER 5 Ca 0.00 -2.13 -0.20 0.00 1.31 0.00 0.00 55.95 54.93 2cry s SER 5 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2cry s SER 5 CO 0.00 -1.25 1.76 -0.44 0.41 0.00 0.00 173.24 173.73 2cry s SER 6 N 4.35 6.34 0.05 2.44 0.01 -1.26 -4.83 113.70 120.79 2cry s SER 6 Ca 0.49 -2.12 -0.17 0.00 1.31 0.00 0.00 55.95 55.46 2cry s SER 6 Cb 0.02 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 2cry s SER 6 CO 0.00 -1.69 1.27 1.23 0.41 0.00 0.00 173.24 174.46 2cry h GLY 7 N 13.95 -1.12 -1.81 3.44 0.00 -2.04 -3.47 103.07 112.02 2cry h GLY 7 Ca 0.36 0.54 0.10 0.00 0.00 0.00 0.00 47.33 48.32 2cry h GLY 7 CO 1.40 -0.35 0.37 -1.08 0.00 0.00 0.00 176.54 176.87 2cry s THR 8 N -4.35 0.00 -0.13 4.70 -1.32 -1.26 -5.16 115.64 108.12 2cry s THR 8 Ca -0.08 -0.84 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 2cry s THR 8 Cb 0.03 -2.35 0.01 0.00 -1.51 0.00 0.00 72.50 68.67 2cry s THR 8 CO 0.29 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.72 2cry s LEU 9 N -3.04 2.15 0.06 9.08 2.01 -1.26 -5.11 118.68 122.56 2cry s LEU 9 Ca 0.14 -0.58 -0.24 0.00 0.01 0.00 0.00 54.13 53.46 2cry s LEU 9 Cb -0.04 -1.45 0.06 0.00 0.01 0.00 0.00 46.19 44.77 2cry s LEU 9 CO 0.06 0.10 0.57 0.28 1.01 0.00 0.00 176.35 178.38 2cry s THR 10 N 0.68 0.02 -0.11 5.49 -1.32 -1.26 -5.18 115.64 113.97 2cry s THR 10 Ca -0.10 -0.14 -0.13 0.00 -1.21 0.00 0.00 61.69 60.11 2cry s THR 10 Cb -0.16 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2cry s THR 10 CO 0.01 -0.08 0.34 0.68 -2.21 0.00 0.00 174.62 173.37 2cry s VAL 11 N -2.53 0.01 0.37 5.08 -7.23 -1.26 -5.17 120.40 109.66 2cry s VAL 11 Ca -0.05 -0.09 0.09 0.00 -1.81 0.00 0.00 61.98 60.12 2cry s VAL 11 Cb -0.01 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 2cry s VAL 11 CO -0.02 -0.05 -0.05 0.20 -0.31 0.00 0.00 175.10 174.87 2cry s ASN 12 N -0.10 3.83 0.00 4.85 -0.87 -1.26 -4.74 114.94 116.65 2cry s ASN 12 Ca -0.03 -1.24 0.00 0.00 -1.57 0.00 0.00 52.86 50.03 2cry s ASN 12 Cb -0.03 -0.38 0.00 0.00 -0.02 0.00 0.00 41.25 40.82 2cry s ASN 12 CO 0.01 -0.29 0.00 0.61 -2.57 0.00 0.00 177.10 174.86 2cry n GLY 13 N -0.87 -0.18 3.75 0.66 0.00 -1.15 -4.99 105.19 102.42 2cry n GLY 13 Ca -0.05 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2cry n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 14 N -2.00 1.84 -0.05 1.61 0.04 -1.26 -4.39 135.00 130.79 2cry s PRO 14 Ca 0.00 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2cry s PRO 14 Cb 0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2cry s PRO 14 CO 0.00 -1.89 1.49 -1.25 0.04 0.00 0.00 177.00 175.39 2cry s PRO 15 N -4.92 4.22 -0.08 0.56 0.04 -1.26 -4.59 135.00 128.98 2cry s PRO 15 Ca 0.62 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.57 2cry s PRO 15 Cb -0.17 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 2cry s PRO 15 CO 0.56 -0.73 0.25 0.42 0.04 0.00 0.00 177.00 177.55 2cry s ILE 16 N 3.32 5.31 -0.13 0.56 1.01 -1.26 -4.31 121.20 125.70 2cry s ILE 16 Ca 0.66 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.79 2cry s ILE 16 Cb -0.31 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.65 2cry s ILE 16 CO 0.26 0.58 -0.14 -0.63 0.00 0.00 0.00 174.94 175.02 2cry s ILE 17 N -0.91 1.46 0.00 2.92 1.01 -1.26 -1.66 121.20 122.75 2cry s ILE 17 Ca 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2cry s ILE 17 Cb -0.14 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2cry s ILE 17 CO 0.07 0.44 0.00 -0.24 0.00 0.00 0.00 174.94 175.21 2cry n SER 18 N 4.58 0.00 -3.00 3.58 2.88 -1.12 -5.00 113.62 115.54 2cry n SER 18 Ca -0.17 0.11 -0.07 0.00 -1.33 0.00 0.00 58.87 57.41 2cry n SER 18 Cb 0.50 -0.25 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2cry n SER 18 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cry n SER 19 N -1.66 -2.10 -4.59 -3.46 7.64 -1.26 -5.01 113.62 103.17 2cry n SER 19 Ca 0.00 -2.34 -0.24 0.00 1.01 0.00 0.00 58.87 57.30 2cry n SER 19 Cb 0.00 3.48 -0.08 0.00 -1.01 0.00 0.00 64.21 66.59 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cry s THR 20 N -2.08 2.99 -0.74 0.44 -4.23 -1.26 -0.12 115.64 110.65 2cry s THR 20 Ca 0.19 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 2cry s THR 20 Cb -0.04 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.30 2cry s THR 20 CO 0.10 -0.35 2.43 0.00 -0.54 0.00 0.00 174.62 176.25 2cry n GLN 21 N -0.82 3.07 -1.04 3.99 1.13 -0.56 -4.97 117.38 118.18 2cry n GLN 21 Ca -0.06 -3.04 -0.46 0.00 -1.94 0.00 0.00 57.00 51.51 2cry n GLN 21 Cb 0.60 -2.28 -0.08 0.00 0.11 0.00 0.00 30.24 28.59 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2cry n THR 22 N 0.51 0.00 -1.91 5.09 -2.24 -1.26 -4.74 114.28 109.73 2cry n THR 22 Ca 0.52 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.13 2cry n THR 22 Cb 0.39 -0.36 0.11 0.00 -2.10 0.00 0.00 70.33 68.37 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry n GLN 23 N 4.46 -0.48 -3.58 -0.78 -0.00 -1.26 -5.05 117.38 110.69 2cry n GLN 23 Ca 0.33 -1.47 -0.41 0.00 -0.00 0.00 0.00 57.00 55.46 2cry n GLN 23 Cb -0.03 -0.71 -0.11 0.00 -0.00 0.00 0.00 30.24 29.38 2cry n GLN 23 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 2cry s HIS 24 N -2.51 3.24 -0.10 2.61 -3.43 -1.26 -4.85 115.29 108.98 2cry s HIS 24 Ca 0.46 -0.87 -0.06 0.00 -0.80 0.00 0.00 55.06 53.79 2cry s HIS 24 Cb -0.02 -2.46 -0.04 0.00 -1.43 0.00 0.00 32.58 28.64 2cry s HIS 24 CO 0.32 -0.62 0.12 0.00 -2.00 0.00 0.00 174.74 172.56 2cry s ALA 25 N 1.58 3.79 0.02 -1.38 0.00 -1.26 -4.83 121.76 119.68 2cry s ALA 25 Ca 0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 2cry s ALA 25 Cb -0.19 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 2cry s ALA 25 CO 0.07 0.63 -0.01 1.28 0.00 0.00 0.00 175.76 177.73 2cry n LEU 26 N 1.91 0.34 -3.29 0.00 4.77 -1.26 -2.68 117.00 116.79 2cry n LEU 26 Ca -0.19 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2cry n LEU 26 Cb 0.55 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2cry n LEU 26 CO 0.32 -0.57 0.78 -2.28 -1.33 0.00 0.00 177.39 174.31 2cry s HIS 27 N -1.31 -0.34 0.00 -1.77 5.65 -1.26 -4.94 115.29 111.32 2cry s HIS 27 Ca -0.01 0.60 0.00 0.00 0.25 0.00 0.00 55.06 55.90 2cry s HIS 27 Cb 0.00 0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.61 2cry s HIS 27 CO 0.01 -0.17 0.00 0.41 -0.65 0.00 0.00 174.74 174.34 2cry n GLY 28 N 4.69 2.53 1.76 1.59 0.00 -1.25 -5.01 105.19 109.49 2cry n GLY 28 Ca -0.08 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 2cry n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cry n GLU 29 N 0.00 -1.25 -3.89 1.61 -0.58 -1.26 -3.52 120.64 111.75 2cry n GLU 29 Ca 0.00 -0.49 -0.35 0.00 -0.42 0.00 0.00 57.16 55.90 2cry n GLU 29 Cb 0.00 -0.89 -0.13 0.00 -0.57 0.00 0.00 31.44 29.85 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cry s LYS 30 N -2.90 2.37 -0.82 3.49 1.02 -1.26 -3.38 119.74 118.25 2cry s LYS 30 Ca 0.22 -1.34 -0.25 0.00 0.02 0.00 0.00 55.97 54.62 2cry s LYS 30 Cb -0.04 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.95 2cry s LYS 30 CO 0.19 -0.68 2.18 0.20 -0.92 0.00 0.00 175.35 176.33 2cry s GLY 31 N 1.31 -0.32 -0.61 -3.33 0.00 -1.01 -4.63 107.32 98.72 2cry s GLY 31 Ca -0.03 -1.08 -0.20 0.00 0.00 0.00 0.00 44.72 43.41 2cry s GLY 31 CO -0.01 3.87 0.78 1.62 0.00 0.00 0.00 173.10 179.35 2cry s GLN 32 N 7.96 3.07 -0.41 2.90 0.74 -1.25 -2.02 119.66 130.64 2cry s GLN 32 Ca 0.82 -1.20 -0.10 0.00 0.05 0.00 0.00 55.36 54.92 2cry s GLN 32 Cb -0.10 -4.26 0.06 0.00 1.10 0.00 0.00 33.01 29.81 2cry s GLN 32 CO 0.05 -1.62 0.26 0.42 -0.55 0.00 0.00 175.29 173.85 2cry s ILE 33 N 3.04 4.44 -0.17 -2.34 1.01 -0.66 -4.37 121.20 122.14 2cry s ILE 33 Ca 0.14 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 2cry s ILE 33 Cb -0.22 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2cry s ILE 33 CO 0.07 -0.44 0.11 -1.59 0.00 0.00 0.00 174.94 173.09 2cry s LYS 34 N 1.49 3.89 -0.23 2.79 -2.85 -1.26 -1.06 119.74 122.51 2cry s LYS 34 Ca 0.03 -0.24 -0.08 0.00 -1.00 0.00 0.00 55.97 54.67 2cry s LYS 34 Cb -0.22 -3.27 -0.04 0.00 -2.06 0.00 0.00 37.83 32.24 2cry s LYS 34 CO 0.04 0.43 0.10 0.00 0.10 0.00 0.00 175.35 176.02 2cry s PHE 36 N 1.17 2.10 -0.50 0.00 0.40 0.83 -3.03 117.98 118.95 2cry s PHE 36 Ca 0.05 0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.21 2cry s PHE 36 Cb -0.14 -4.24 0.05 0.00 0.51 0.00 0.00 43.02 39.19 2cry s PHE 36 CO 0.04 -1.64 0.70 0.42 0.70 0.00 0.00 175.22 175.45 2cry s ILE 37 N 8.67 4.75 -0.15 0.64 1.01 -0.84 -2.79 121.20 132.49 2cry s ILE 37 Ca 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2cry s ILE 37 Cb -0.02 -4.34 0.21 0.00 0.01 0.00 0.00 42.46 38.32 2cry s ILE 37 CO 0.02 -0.84 1.37 0.54 0.00 0.00 0.00 174.94 176.04 2cry n ARG 38 N 6.49 1.42 -1.79 2.79 1.74 -0.67 -0.32 116.66 126.32 2cry n ARG 38 Ca -0.04 -0.99 -0.42 0.00 -0.77 0.00 0.00 57.85 55.64 2cry n ARG 38 Cb 0.46 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 2cry n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2cry s SER 39 N 0.30 6.42 -0.27 0.55 0.01 -1.24 -4.54 113.70 114.93 2cry s SER 39 Ca 0.19 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.30 2cry s SER 39 Cb 0.16 -2.61 0.16 0.00 0.21 0.00 0.00 66.02 63.93 2cry s SER 39 CO 0.03 -0.91 0.43 -0.89 0.41 0.00 0.00 173.24 172.31 2cry s THR 40 N 0.62 -0.69 1.01 1.44 2.01 -1.26 -3.50 115.64 115.27 2cry s THR 40 Ca 0.69 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.41 2cry s THR 40 Cb -0.48 -0.92 0.19 0.00 0.01 0.00 0.00 72.50 71.30 2cry s THR 40 CO 0.39 -0.17 1.09 -2.16 -0.69 0.00 0.00 174.62 173.08 2cry s PRO 41 N 2.60 0.36 0.79 4.92 0.04 -1.26 -2.92 135.00 139.53 2cry s PRO 41 Ca 0.12 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 2cry s PRO 41 Cb -0.14 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.74 2cry s PRO 41 CO -0.23 -2.78 1.09 -1.25 0.04 0.00 0.00 177.00 173.87 2cry s PRO 42 N -4.96 2.11 0.77 0.56 0.04 -1.23 -4.73 135.00 127.56 2cry s PRO 42 Ca 0.65 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2cry s PRO 42 Cb -0.19 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2cry s PRO 42 CO 0.58 -1.73 1.09 -1.25 0.04 0.00 0.00 177.00 175.73 2cry s PRO 43 N -4.91 2.27 0.09 0.56 0.04 -1.26 -4.90 135.00 126.89 2cry s PRO 43 Ca 0.61 1.17 0.21 0.00 0.04 0.00 0.00 61.00 63.04 2cry s PRO 43 Cb -0.17 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 2cry s PRO 43 CO 0.56 -1.64 0.80 -0.25 0.04 0.00 0.00 177.00 176.51 2cry n ASP 44 N -3.49 0.59 -3.90 6.66 8.00 0.11 -4.94 116.55 119.58 2cry n ASP 44 Ca 0.09 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.73 2cry n ASP 44 Cb 0.53 0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 42.34 2cry n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2cry s ARG 45 N -3.26 0.54 -0.09 -1.24 3.52 -0.94 -5.01 118.95 112.47 2cry s ARG 45 Ca -0.03 -0.59 -0.15 0.00 -0.13 0.00 0.00 55.73 54.83 2cry s ARG 45 Cb 0.10 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 2cry s ARG 45 CO 0.83 -0.13 0.37 0.42 -0.81 0.00 0.00 175.30 175.98 2cry s ILE 46 N -2.02 0.02 0.02 4.11 1.01 -1.26 -0.80 121.20 122.29 2cry s ILE 46 Ca -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 2cry s ILE 46 Cb -0.04 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 2cry s ILE 46 CO -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 174.94 174.81 2cry s ALA 47 N -0.45 0.10 -0.42 9.38 0.00 -0.43 -4.52 121.76 125.43 2cry s ALA 47 Ca -0.06 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2cry s ALA 47 Cb -0.04 0.16 0.12 0.00 0.00 0.00 0.00 23.12 23.36 2cry s ALA 47 CO 0.02 -0.18 0.16 -1.58 0.00 0.00 0.00 175.76 174.18 2cry s TRP 48 N -1.66 3.11 -0.07 0.00 0.52 0.11 -1.99 118.94 118.96 2cry s TRP 48 Ca -0.14 -2.87 0.03 0.00 0.02 0.00 0.00 56.10 53.14 2cry s TRP 48 Cb -0.08 -2.63 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 2cry s TRP 48 CO -0.02 -0.84 -0.14 -1.54 0.02 0.00 0.00 176.95 174.43 2cry s SER 49 N 0.46 3.98 0.00 2.95 1.04 -0.95 -1.91 113.70 119.27 2cry s SER 49 Ca 0.14 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2cry s SER 49 Cb -0.22 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.83 2cry s SER 49 CO -0.06 0.29 0.00 -2.67 0.98 0.00 0.00 173.24 171.78 2cry n TRP 50 N 2.69 0.00 0.00 5.02 2.14 -1.16 -2.15 117.44 123.98 2cry n TRP 50 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 2cry n TRP 50 Cb 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 2cry n TRP 50 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2cry n LYS 51 N -2.22 0.00 0.00 -2.67 4.76 -1.26 -4.69 118.16 112.08 2cry n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2cry n LYS 51 Cb 0.00 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 2cry n LYS 51 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2cry n GLU 52 N -1.93 2.63 -3.50 1.97 2.13 -1.26 -5.05 120.64 115.64 2cry n GLU 52 Ca 0.00 -0.10 -0.38 0.00 0.66 0.00 0.00 57.16 57.34 2cry n GLU 52 Cb 0.00 -0.48 -0.06 0.00 0.27 0.00 0.00 31.44 31.17 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2cry s ASN 53 N -0.41 6.77 -0.12 4.31 0.01 -1.26 -5.08 114.94 119.17 2cry s ASN 53 Ca 0.00 0.92 0.01 0.00 -0.71 0.00 0.00 52.86 53.08 2cry s ASN 53 Cb 0.00 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.43 2cry s ASN 53 CO 0.00 0.29 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.07 2cry s VAL 54 N -0.86 1.36 -0.32 1.60 1.01 -1.26 -2.97 120.40 118.96 2cry s VAL 54 Ca 0.23 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 2cry s VAL 54 Cb -0.16 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 34.98 2cry s VAL 54 CO 0.12 0.42 0.05 -0.22 0.00 0.00 0.00 175.10 175.47 2cry s LEU 55 N 1.32 4.12 -0.13 3.92 2.96 -0.80 -4.92 118.68 125.15 2cry s LEU 55 Ca -0.00 -1.26 -0.09 0.00 -0.22 0.00 0.00 54.13 52.56 2cry s LEU 55 Cb -0.14 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2cry s LEU 55 CO -0.06 -0.30 0.09 -0.33 -1.32 0.00 0.00 176.35 174.43 2cry h GLU 56 N 8.08 0.00 -1.92 1.98 5.08 -1.88 0.30 114.58 126.23 2cry h GLU 56 Ca -0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2cry h GLU 56 Cb 1.07 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 2cry h GLU 56 CO 0.57 0.24 0.20 -1.54 -1.00 0.00 0.00 179.01 177.47 2cry s SER 57 N -5.81 -0.68 0.00 1.42 1.04 -1.26 -4.60 113.70 103.81 2cry s SER 57 Ca -0.09 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.62 2cry s SER 57 Cb 0.01 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2cry s SER 57 CO 0.21 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2cry n GLY 58 N 2.46 0.06 2.87 7.32 0.00 -1.25 -4.92 105.19 111.73 2cry n GLY 58 Ca -0.14 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 2cry n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 59 N 0.00 1.17 -0.71 2.61 2.01 -1.26 -2.16 115.64 117.30 2cry s THR 59 Ca 0.00 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 2cry s THR 59 Cb 0.00 -1.49 0.39 0.00 0.01 0.00 0.00 72.50 71.41 2cry s THR 59 CO 0.00 -0.10 1.83 -0.24 -0.69 0.00 0.00 174.62 175.42 2cry n SER 60 N 4.81 6.96 0.00 3.53 2.88 -1.19 -4.99 113.62 125.63 2cry n SER 60 Ca -0.11 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 2cry n SER 60 Cb 0.45 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2cry n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cry n GLY 61 N -0.63 0.49 1.57 0.46 0.00 -1.26 -4.58 105.19 101.23 2cry n GLY 61 Ca 0.53 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 2cry n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cry n ARG 62 N 0.00 1.46 -3.82 1.61 1.74 -1.26 -4.84 116.66 111.55 2cry n ARG 62 Ca 0.00 -1.00 -0.09 0.00 -0.77 0.00 0.00 57.85 55.99 2cry n ARG 62 Cb 0.00 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cry s TYR 63 N -1.12 0.10 -0.30 -1.55 2.02 -1.26 -2.66 117.35 112.58 2cry s TYR 63 Ca 0.19 -0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 2cry s TYR 63 Cb 0.16 0.01 0.15 0.00 -0.40 0.00 0.00 41.96 41.88 2cry s TYR 63 CO 0.02 -0.59 0.69 0.99 -1.57 0.00 0.00 175.55 175.08 2cry s THR 64 N -3.86 -0.92 0.04 -0.71 2.01 -0.11 -3.15 115.64 108.94 2cry s THR 64 Ca 0.06 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 2cry s THR 64 Cb 0.04 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 2cry s THR 64 CO -0.10 0.00 0.49 -0.69 -0.69 0.00 0.00 174.62 173.63 2cry s VAL 65 N 2.84 4.87 -0.25 3.82 1.01 -0.92 -0.76 120.40 131.02 2cry s VAL 65 Ca 0.03 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 2cry s VAL 65 Cb -0.12 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.59 2cry s VAL 65 CO -0.19 0.56 0.41 -1.61 0.00 0.00 0.00 175.10 174.27 2cry s GLU 66 N -1.12 0.38 -0.01 2.72 2.02 0.61 -3.92 118.70 119.40 2cry s GLU 66 Ca 0.27 0.59 -0.14 0.00 0.02 0.00 0.00 54.97 55.70 2cry s GLU 66 Cb -0.18 -0.33 -0.06 0.00 0.10 0.00 0.00 34.13 33.66 2cry s GLU 66 CO 0.16 -0.65 0.40 0.99 0.02 0.00 0.00 175.26 176.18 2cry s THR 67 N 2.59 5.05 0.31 3.63 2.01 -1.26 -0.21 115.64 127.76 2cry s THR 67 Ca 0.14 0.81 0.10 0.00 0.31 0.00 0.00 61.69 63.05 2cry s THR 67 Cb -0.15 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2cry s THR 67 CO -0.17 0.58 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.59 2cry s ILE 68 N -1.06 2.18 -0.22 1.82 -1.09 0.13 -4.94 121.20 118.02 2cry s ILE 68 Ca 0.23 -2.25 -0.03 0.00 -2.23 0.00 0.00 60.65 56.38 2cry s ILE 68 Cb -0.16 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 2cry s ILE 68 CO 0.13 -0.29 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.04 2cry s SER 69 N -3.54 4.14 0.30 3.58 0.01 -1.26 -0.64 113.70 116.29 2cry s SER 69 Ca 0.31 -0.56 0.09 0.00 1.31 0.00 0.00 55.95 57.09 2cry s SER 69 Cb 0.00 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2cry s SER 69 CO 0.15 -0.05 0.06 0.42 0.41 0.00 0.00 173.24 174.23 2cry s THR 70 N 1.41 3.30 0.26 1.44 -4.23 0.18 -4.94 115.64 113.05 2cry s THR 70 Ca 0.04 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 2cry s THR 70 Cb -0.15 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 71.01 2cry s THR 70 CO -0.05 -0.29 1.78 1.05 -0.54 0.00 0.00 174.62 176.57 2cry h GLU 71 N 1.74 0.66 -0.18 3.99 4.11 -1.99 -1.23 114.58 121.68 2cry h GLU 71 Ca -0.44 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 58.76 2cry h GLU 71 Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2cry h GLU 71 CO 0.62 0.44 -0.67 0.93 0.07 0.00 0.00 179.01 180.40 2cry h GLU 72 N 0.68 0.68 0.00 1.06 3.07 -1.95 -3.49 114.58 114.63 2cry h GLU 72 Ca 0.44 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2cry h GLU 72 Cb 0.56 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2cry h GLU 72 CO -0.32 1.12 0.00 0.41 -1.40 0.00 0.00 179.01 178.81 2cry n GLY 73 N 0.50 -0.97 3.26 -3.84 0.00 -0.47 -4.65 105.19 99.02 2cry n GLY 73 Ca -0.05 0.68 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 2cry n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cry s VAL 74 N 2.03 0.00 -0.20 1.61 -7.23 0.56 0.47 120.40 117.64 2cry s VAL 74 Ca 0.00 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 2cry s VAL 74 Cb 0.00 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.55 2cry s VAL 74 CO 0.00 0.00 0.33 -0.63 -0.31 0.00 0.00 175.10 174.49 2cry s ILE 75 N -3.85 -0.52 -0.49 -0.62 1.01 0.19 -1.98 121.20 114.94 2cry s ILE 75 Ca 0.38 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.88 2cry s ILE 75 Cb 0.05 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.89 2cry s ILE 75 CO 0.18 -0.04 0.70 -0.55 0.00 0.00 0.00 174.94 175.22 2cry s SER 76 N 2.49 6.28 -0.15 3.58 0.15 -1.17 0.23 113.70 125.11 2cry s SER 76 Ca 0.06 -0.60 -0.09 0.00 0.70 0.00 0.00 55.95 56.01 2cry s SER 76 Cb -0.14 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 2cry s SER 76 CO -0.13 -0.93 0.17 -0.89 1.20 0.00 0.00 173.24 172.66 2cry s THR 77 N 2.98 5.42 -0.27 6.45 2.01 0.70 -1.51 115.64 131.42 2cry s THR 77 Ca 0.21 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.50 2cry s THR 77 Cb -0.16 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 68.95 2cry s THR 77 CO 0.16 0.52 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.33 2cry s LEU 78 N -0.31 3.36 0.15 4.42 2.96 -0.22 -0.28 118.68 128.75 2cry s LEU 78 Ca 0.13 -1.46 -0.18 0.00 -0.22 0.00 0.00 54.13 52.39 2cry s LEU 78 Cb -0.12 -1.43 -0.07 0.00 0.50 0.00 0.00 46.19 45.07 2cry s LEU 78 CO 0.02 -0.24 0.62 -0.89 -1.32 0.00 0.00 176.35 174.54 2cry s THR 79 N 1.17 4.70 -0.27 3.68 2.01 0.06 -1.66 115.64 125.34 2cry s THR 79 Ca -0.04 1.16 0.02 0.00 0.31 0.00 0.00 61.69 63.13 2cry s THR 79 Cb -0.19 -3.86 0.07 0.00 0.01 0.00 0.00 72.50 68.53 2cry s THR 79 CO -0.07 0.36 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.56 2cry s ILE 80 N -1.34 1.77 0.31 1.82 1.01 -0.86 -0.94 121.20 122.97 2cry s ILE 80 Ca 0.36 -1.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 2cry s ILE 80 Cb -0.18 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.12 2cry s ILE 80 CO 0.20 -0.23 1.27 -0.44 0.00 0.00 0.00 174.94 175.75 2cry s SER 81 N 1.25 6.87 -1.29 3.58 0.01 -1.09 -2.40 113.70 120.63 2cry s SER 81 Ca -0.02 2.59 -0.16 0.00 1.31 0.00 0.00 55.95 59.66 2cry s SER 81 Cb -0.19 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.42 2cry s SER 81 CO -0.08 -0.47 0.31 0.59 0.41 0.00 0.00 173.24 174.00 2cry n ASN 82 N 1.08 -1.42 -4.45 2.44 4.13 -1.23 -4.80 115.26 111.01 2cry n ASN 82 Ca 0.01 -1.21 -0.37 0.00 1.68 0.00 0.00 54.58 54.69 2cry n ASN 82 Cb 0.42 -1.47 0.06 0.00 -1.54 0.00 0.00 39.78 37.25 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cry n ILE 83 N -4.58 1.86 -4.19 2.41 3.06 -1.22 -4.77 119.36 111.94 2cry n ILE 83 Ca -0.21 -0.43 -0.18 0.00 -2.50 0.00 0.00 62.75 59.43 2cry n ILE 83 Cb 0.59 -0.69 -0.12 0.00 0.54 0.00 0.00 39.64 39.96 2cry n ILE 83 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2cry s VAL 84 N -1.85 1.16 0.26 9.51 -7.23 -1.26 -3.90 120.40 117.09 2cry s VAL 84 Ca 0.66 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2cry s VAL 84 Cb -0.38 -1.18 0.33 0.00 0.56 0.00 0.00 36.38 35.71 2cry s VAL 84 CO 0.57 -0.26 1.26 0.54 -0.31 0.00 0.00 175.10 176.90 2cry n ARG 85 N 1.12 -0.06 -0.28 4.82 1.74 -1.26 0.12 116.66 122.86 2cry n ARG 85 Ca -0.20 1.18 0.07 0.00 -0.77 0.00 0.00 57.85 58.13 2cry n ARG 85 Cb 0.55 -1.92 0.18 0.00 -1.02 0.00 0.00 32.46 30.24 2cry n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cry h ALA 86 N 1.60 0.85 -1.61 7.54 0.00 -2.00 0.44 119.26 126.08 2cry h ALA 86 Ca 0.52 0.27 0.49 0.00 0.00 0.00 0.00 54.91 56.19 2cry h ALA 86 Cb 1.15 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 2cry h ALA 86 CO -0.73 -0.44 1.11 -0.44 0.00 0.00 0.00 179.25 178.75 2cry h ASP 87 N 0.09 0.11 -0.11 0.00 5.19 0.60 1.27 116.42 123.56 2cry h ASP 87 Ca 0.45 0.07 -0.19 0.00 -0.62 0.00 0.00 57.03 56.73 2cry h ASP 87 Cb 0.82 0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.40 2cry h ASP 87 CO -0.73 -0.09 -0.68 -0.26 -3.12 0.00 0.00 179.24 174.36 2cry h PHE 88 N 0.03 0.90 0.00 4.55 0.04 -0.24 -3.20 116.94 119.01 2cry h PHE 88 Ca 0.86 -0.41 -0.11 0.00 2.80 0.00 0.00 57.97 61.11 2cry h PHE 88 Cb 3.11 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 41.12 2cry h PHE 88 CO -0.00 1.22 -0.52 1.96 -0.60 0.00 0.00 178.31 180.37 2cry h GLN 89 N 0.32 0.00 -6.87 1.51 4.20 0.15 -3.39 115.11 111.02 2cry h GLN 89 Ca -0.05 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.16 2cry h GLN 89 Cb 1.32 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.12 2cry h GLN 89 CO 0.14 0.52 0.46 0.99 -0.67 0.00 0.00 178.83 180.27 2cry s THR 90 N -3.82 3.52 -0.19 -0.54 2.01 0.36 -5.02 115.64 111.97 2cry s THR 90 Ca -0.02 1.38 -0.15 0.00 0.31 0.00 0.00 61.69 63.21 2cry s THR 90 Cb 0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2cry s THR 90 CO 0.75 0.21 0.37 -0.63 -0.69 0.00 0.00 174.62 174.63 2cry s ILE 91 N -1.35 5.23 0.06 1.82 1.09 -1.26 -4.68 121.20 122.11 2cry s ILE 91 Ca 0.50 0.66 -0.05 0.00 -1.10 0.00 0.00 60.65 60.67 2cry s ILE 91 Cb -0.29 -3.70 -0.05 0.00 -1.06 0.00 0.00 42.46 37.36 2cry s ILE 91 CO 0.36 0.30 0.29 -0.31 -0.10 0.00 0.00 174.94 175.48 2cry s TYR 92 N 1.02 3.54 -0.16 3.97 2.02 -0.84 -4.00 117.35 122.89 2cry s TYR 92 Ca 0.18 0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 57.30 2cry s TYR 92 Cb -0.14 -1.94 0.06 0.00 -0.40 0.00 0.00 41.96 39.54 2cry s TYR 92 CO 0.07 0.56 0.37 -0.80 -1.57 0.00 0.00 175.55 174.18 2cry s ASN 93 N -2.09 -0.37 -0.24 2.29 0.01 -0.91 -1.59 114.94 112.04 2cry s ASN 93 Ca 0.33 0.82 -0.06 0.00 -0.71 0.00 0.00 52.86 53.24 2cry s ASN 93 Cb -0.13 0.79 -0.02 0.00 0.41 0.00 0.00 41.25 42.30 2cry s ASN 93 CO 0.21 -0.20 0.04 0.00 -1.51 0.00 0.00 177.10 175.65 2cry s THR 95 N 1.55 2.14 0.49 0.00 2.01 -0.84 -3.02 115.64 117.97 2cry s THR 95 Ca 0.06 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.13 2cry s THR 95 Cb -0.15 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.55 2cry s THR 95 CO 0.02 0.56 0.34 0.00 -0.69 0.00 0.00 174.62 174.85 2cry s ALA 96 N 0.36 4.19 -0.21 7.40 0.00 -1.10 -1.31 121.76 131.08 2cry s ALA 96 Ca -0.18 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.23 2cry s ALA 96 Cb -0.18 -0.69 0.11 0.00 0.00 0.00 0.00 23.12 22.36 2cry s ALA 96 CO 0.08 -0.34 0.38 -1.58 0.00 0.00 0.00 175.76 174.31 2cry s TRP 97 N -2.69 -0.75 0.08 0.00 0.51 0.02 -3.93 118.94 112.18 2cry s TRP 97 Ca 0.37 1.13 0.07 0.00 -2.12 0.00 0.00 56.10 55.55 2cry s TRP 97 Cb -0.01 0.13 -0.03 0.00 -0.81 0.00 0.00 33.47 32.74 2cry s TRP 97 CO 0.22 -0.57 -0.19 1.21 -0.51 0.00 0.00 176.95 177.10 2cry s ASN 98 N 2.56 2.35 0.62 2.95 2.47 0.51 0.09 114.94 126.48 2cry s ASN 98 Ca 0.05 -0.63 0.22 0.00 0.42 0.00 0.00 52.86 52.92 2cry s ASN 98 Cb -0.14 -0.14 0.87 0.00 -1.45 0.00 0.00 41.25 40.40 2cry s ASN 98 CO -0.14 0.06 1.38 0.28 -3.72 0.00 0.00 177.10 174.96 2cry h SER 99 N 4.33 0.00 0.00 -4.21 0.02 -1.95 0.26 113.55 112.00 2cry h SER 99 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2cry h SER 99 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2cry h SER 99 CO 0.41 0.00 -0.16 -0.26 -1.14 0.00 0.00 176.83 175.68 2cry h PHE 100 N 0.00 0.00 0.00 3.45 -1.00 -1.94 -3.51 116.94 113.94 2cry h PHE 100 Ca 0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2cry h PHE 100 Cb 2.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.89 2cry h PHE 100 CO 0.00 0.54 0.00 0.41 -1.61 0.00 0.00 178.31 177.65 2cry n GLY 101 N 1.66 2.01 3.63 -1.45 0.00 0.91 -4.84 105.19 107.11 2cry n GLY 101 Ca -0.08 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2cry n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 102 N 2.00 -0.20 0.32 1.61 1.04 -1.26 -0.36 113.70 116.84 2cry s SER 102 Ca 0.00 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.16 2cry s SER 102 Cb 0.00 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.47 2cry s SER 102 CO 0.00 -0.60 0.54 -1.81 0.98 0.00 0.00 173.24 172.35 2cry s ASP 103 N -2.71 0.36 0.09 7.02 1.11 -1.25 -4.82 116.67 116.46 2cry s ASP 103 Ca 0.10 -1.21 -0.22 0.00 0.18 0.00 0.00 52.55 51.41 2cry s ASP 103 Cb 0.00 0.67 0.05 0.00 1.07 0.00 0.00 42.92 44.72 2cry s ASP 103 CO -0.03 -1.32 0.52 -0.89 1.18 0.00 0.00 175.17 174.63 2cry s THR 104 N -3.27 0.03 -0.01 -1.27 2.01 -1.26 -2.71 115.64 109.15 2cry s THR 104 Ca 0.24 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 2cry s THR 104 Cb -0.02 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.49 2cry s THR 104 CO 0.14 -0.13 0.29 -0.70 -0.69 0.00 0.00 174.62 173.53 2cry s GLU 105 N -3.05 0.64 -0.08 4.92 2.56 -1.17 -4.97 118.70 117.55 2cry s GLU 105 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.97 54.69 2cry s GLU 105 Cb -0.00 0.28 -0.04 0.00 2.00 0.00 0.00 34.13 36.37 2cry s GLU 105 CO -0.07 -0.17 0.09 0.42 -0.56 0.00 0.00 175.26 174.97 2cry s ILE 106 N -1.33 5.03 -0.07 -3.70 1.01 -1.26 -2.81 121.20 118.06 2cry s ILE 106 Ca -0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2cry s ILE 106 Cb -0.05 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.25 2cry s ILE 106 CO 0.04 0.55 0.18 -0.63 0.00 0.00 0.00 174.94 175.07 2cry s ILE 107 N -1.04 -0.03 -0.15 2.92 1.09 -0.62 -4.99 121.20 118.38 2cry s ILE 107 Ca 0.17 0.12 0.02 0.00 -1.10 0.00 0.00 60.65 59.86 2cry s ILE 107 Cb -0.12 -0.27 0.01 0.00 -1.06 0.00 0.00 42.46 41.02 2cry s ILE 107 CO 0.06 0.05 -0.21 -0.13 -0.10 0.00 0.00 174.94 174.61 2cry s ARG 108 N 0.91 2.94 -0.17 2.79 1.81 -1.26 -2.00 118.95 123.97 2cry s ARG 108 Ca -0.07 -0.82 -0.19 0.00 -1.72 0.00 0.00 55.73 52.93 2cry s ARG 108 Cb -0.08 -2.41 -0.03 0.00 -0.45 0.00 0.00 34.95 31.97 2cry s ARG 108 CO -0.05 -0.06 0.56 -1.17 -0.68 0.00 0.00 175.30 173.90 2cry s LEU 109 N 0.93 4.18 0.31 2.53 2.96 -1.26 -5.07 118.68 123.27 2cry s LEU 109 Ca -0.05 0.78 0.11 0.00 -0.22 0.00 0.00 54.13 54.75 2cry s LEU 109 Cb -0.15 -2.79 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 2cry s LEU 109 CO -0.04 -0.17 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.14 2cry s LYS 110 N 1.47 1.78 0.71 1.98 -0.14 -1.26 -4.13 119.74 120.15 2cry s LYS 110 Ca 0.27 -1.85 -0.17 0.00 -1.36 0.00 0.00 55.97 52.85 2cry s LYS 110 Cb -0.16 -1.75 -0.14 0.00 -1.68 0.00 0.00 37.83 34.11 2cry s LYS 110 CO 0.11 0.23 -0.30 -1.91 -0.76 0.00 0.00 175.35 172.71 2cry n GLU 111 N -0.73 0.03 -0.55 1.68 2.13 -1.26 -4.49 120.64 117.45 2cry n GLU 111 Ca -0.05 0.01 0.43 0.00 0.66 0.00 0.00 57.16 58.21 2cry n GLU 111 Cb 0.62 -1.09 0.68 0.00 0.27 0.00 0.00 31.44 31.91 2cry n GLU 111 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cry n GLN 112 N 1.61 -0.01 -3.87 5.31 10.64 -1.09 -4.23 117.38 125.73 2cry n GLN 112 Ca 0.05 1.02 -0.12 0.00 -1.83 0.00 0.00 57.00 56.12 2cry n GLN 112 Cb 0.51 -2.21 -0.13 0.00 -0.86 0.00 0.00 30.24 27.55 2cry n GLN 112 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2cry s GLY 113 N -3.89 -0.00 -0.57 2.61 0.00 -1.26 -4.84 107.32 99.37 2cry s GLY 113 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.75 2cry s GLY 113 CO 0.77 0.01 0.33 -0.45 0.00 0.00 0.00 173.10 173.76 2cry s SER 114 N -0.23 4.34 -0.09 1.64 0.15 -1.26 -5.09 113.70 113.17 2cry s SER 114 Ca -0.03 -3.23 -0.03 0.00 0.70 0.00 0.00 55.95 53.36 2cry s SER 114 Cb -0.02 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 2cry s SER 114 CO 0.00 -0.19 0.05 -0.70 1.20 0.00 0.00 173.24 173.60 2cry s GLU 115 N -0.58 3.13 -0.39 5.44 2.12 -1.26 -5.03 118.70 122.14 2cry s GLU 115 Ca 0.20 -0.33 -0.45 0.00 0.36 0.00 0.00 54.97 54.74 2cry s GLU 115 Cb -0.19 -2.92 -0.20 0.00 0.26 0.00 0.00 34.13 31.09 2cry s GLU 115 CO -0.05 0.72 1.51 -0.12 -0.54 0.00 0.00 175.26 176.77 2cry n MET 116 N 2.00 0.08 -2.50 4.30 0.00 -1.26 -4.86 117.12 114.88 2cry n MET 116 Ca -0.18 0.03 -0.17 0.00 -0.00 0.00 0.00 57.70 57.38 2cry n MET 116 Cb 0.54 -1.54 0.02 0.00 0.00 0.00 0.00 33.22 32.24 2cry n MET 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2cry n SER 117 N 3.59 3.29 0.00 6.12 7.64 -1.26 -5.10 113.62 127.91 2cry n SER 117 Ca 0.29 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 57.01 2cry n SER 117 Cb -0.02 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2cry n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cry n GLY 118 N -0.43 0.20 3.61 0.23 0.00 -1.26 -4.99 105.19 102.55 2cry n GLY 118 Ca 0.26 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2cry n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 119 N 0.00 3.50 -0.11 1.61 0.04 -1.26 -4.88 135.00 133.90 2cry s PRO 119 Ca 0.00 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 2cry s PRO 119 Cb 0.00 -4.12 -0.27 0.00 0.04 0.00 0.00 34.50 30.15 2cry s PRO 119 CO 0.00 -1.66 0.54 0.66 0.04 0.00 0.00 177.00 176.58 2cry h SER 120 N 11.92 0.36 -3.77 6.66 4.64 -2.02 -3.47 113.55 127.87 2cry h SER 120 Ca -0.32 -0.85 -0.56 0.00 -0.47 0.00 0.00 61.79 59.58 2cry h SER 120 Cb 1.15 -0.12 0.16 0.00 -0.31 0.00 0.00 62.40 63.28 2cry h SER 120 CO 1.03 1.61 0.32 -1.20 -0.87 0.00 0.00 176.83 177.73 2cry n SER 121 N -3.93 1.52 0.00 4.97 7.64 -1.26 -5.22 113.62 117.34 2cry n SER 121 Ca -0.25 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2cry n SER 121 Cb 0.89 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2cry n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64